Numerical Methods for Electronic Structure Calculations of Materials (Q5189655)

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scientific article; zbMATH DE number 5680044
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Numerical Methods for Electronic Structure Calculations of Materials
scientific article; zbMATH DE number 5680044

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    Numerical Methods for Electronic Structure Calculations of Materials (English)
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    10 March 2010
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    electronic structure
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    quantum mechanics
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    Kohn-Sham equation
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    nonlinear eigenvalue problem
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    density functional theory
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    pseudopotentials
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